N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide

C13H17NO4 — CID 70228842

IUPACN-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(CC(=O)NC(C)=O)cc1
InChIInChI=1S/C13H17NO4/c1-10(15)14-13(16)9-11-3-5-12(6-4-11)18-8-7-17-2/h3-6H,7-9H2,1-2H3,(H,14,15,16)
InChIKeyBTPLXPMRPJCJKN-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.92
Rot. Bonds6

About N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide

N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 70228842) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide
PubChem CID70228842
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1ccc(CC(=O)NC(C)=O)cc1
InChIInChI=1S/C13H17NO4/c1-10(15)14-13(16)9-11-3-5-12(6-4-11)18-8-7-17-2/h3-6H,7-9H2,1-2H3,(H,14,15,16)
InChIKeyBTPLXPMRPJCJKN-UHFFFAOYSA-N
XLogP0.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-acetyl-2-[4-(2-hydroxyethoxy)phenyl]acetamide
CID 70225164
N-acetyl-2-[4-(2-methoxyethoxy)phenyl]propanamide
CID 71176755
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
4-(2-methoxyethoxy)-N-(propan-2-ylideneamino)benzamide
CID 59642161
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]methylcarbamic acid
CID 170306694
2-(2,4-dichlorophenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662831
4-(2-ethoxyethoxy)-N-[[[2-(4-methoxyphenyl)acetyl]amino]carbamothioyl]benzamide
CID 17113073
2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610737
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide (CID 70228842) is N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide is COCCOc1ccc(CC(=O)NC(C)=O)cc1.
What is the InChIKey of N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is BTPLXPMRPJCJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-10(15)14-13(16)9-11-3-5-12(6-4-11)18-8-7-17-2/h3-6H,7-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide?
N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 251.28 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-[4-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 70228842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).